Hydrochloric Acid → Hydrochloric Acid

HRID 182642Notes

Reaction equation

HRID 182642 reaction equation
[CH2:30]([OH:31])[CH3:32].[CH3:34][CH2:35][OH:36].[ClH:33].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[OH:29])[cH:6][cH:7]1>>[ClH:33].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([CH2:10][c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[NH2:21])[OH:29])[cH:6][cH:7]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 702Ethanol2×HCID 865932161,1-dimethylethyl (1RS,2RS)-2-(4-fluorophenyl)-2-hydroxy-1-((4-(trifluoromethyl)phenyl)methyl)ethylcarbamate

Product 2

HCID 313Hydrochloric AcidHCID 22261479(1RS,2RS)-1-(4-fluorophenyl)-1-hydroxy-3-(4-(trifluoromethyl)phenyl)-2-propylamine

Sources & evidence

ORD record
ord-30f34663129e4f1d9b7a17aafb10e673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…